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389630-95-9 molecular structure
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(1,3-thiazol-2-yl)boronic acid

ChemBase ID: 806343
Molecular Formular: C3H4BNO2S
Molecular Mass: 128.94536
Monoisotopic Mass: 129.00557977
SMILES and InChIs

SMILES:
B(O)(O)c1sccn1
Canonical SMILES:
OB(c1nccs1)O
InChI:
InChI=1S/C3H4BNO2S/c6-4(7)3-5-1-2-8-3/h1-2,6-7H
InChIKey:
JWUGKJKBCKJFOU-UHFFFAOYSA-N

Cite this record

CBID:806343 http://www.chembase.cn/molecule-806343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,3-thiazol-2-yl)boronic acid
IUPAC Traditional name
1,3-thiazol-2-ylboronic acid
Synonyms
THIAZOLE-2-BORONIC ACID
CAS Number
389630-95-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23886 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23886 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.2836595  H Acceptors
H Donor LogD (pH = 5.5) 0.89251834 
LogD (pH = 7.4) 0.5360114  Log P 0.8996 
Molar Refractivity 25.2852 cm3 Polarizability 11.420631 Å3
Polar Surface Area 53.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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